@MOLECULE 92021067 33 35 1 SMALL USER_CHARGES @ATOM 1 O1 1.1273 0.9951 -1.6775 O.3 1 noname -0.2728 2 O2 4.9817 -2.0520 -0.2323 O.3 1 noname -0.2837 3 O3 -2.9422 -0.2134 -3.9277 O.3 1 noname -0.2856 4 O4 5.4173 -1.0763 4.3916 O.3 1 noname -0.2853 5 C1 2.4533 -0.7843 -0.4225 C.3 1 noname 0.0311 6 C2 1.0988 -1.4883 -0.2029 C.3 1 noname 0.0275 7 C3 2.2465 0.6994 -0.7997 C.3 1 noname 0.0607 8 C4 0.1297 -1.2446 -1.2914 C.2 1 noname -0.0388 9 C5 3.2549 -0.8632 0.8795 C.2 1 noname -0.0382 10 C6 0.1672 0.0237 -1.9496 C.2 1 noname 0.0047 11 C7 -0.9164 -2.1895 -1.5304 C.2 1 noname -0.0455 12 C8 4.4895 -1.5016 0.8979 C.2 1 noname 0.0062 13 C9 2.7481 -0.2966 2.0431 C.2 1 noname -0.0431 14 C10 -0.8756 0.3836 -2.8662 C.2 1 noname -0.0050 15 C11 -1.9541 -1.8101 -2.4305 C.2 1 noname -0.0449 16 C12 -1.9379 -0.5411 -3.0870 C.2 1 noname -0.0007 17 C13 5.2173 -1.5733 2.0799 C.2 1 noname -0.0059 18 C14 3.4759 -0.3683 3.2252 C.2 1 noname -0.0449 19 C15 4.7105 -1.0066 3.2436 C.2 1 noname 0.0007 20 H1 2.9972 -1.2977 -1.2178 H 1 noname 0.0380 21 H2 0.6698 -1.1633 0.7450 H 1 noname 0.0324 22 H3 1.2255 -2.5599 -0.0485 H 1 noname 0.0324 23 H4 2.1640 1.2970 0.1082 H 1 noname 0.0578 24 H5 3.1603 1.0717 -1.2628 H 1 noname 0.0578 25 H6 -0.9199 -3.1014 -1.0735 H 1 noname 0.0627 26 H7 1.8421 0.1719 2.0296 H 1 noname 0.0627 27 H8 -0.8575 1.2816 -3.3496 H 1 noname 0.0677 28 H9 -2.7226 -2.4565 -2.6094 H 1 noname 0.0650 29 H10 6.1233 -2.0417 2.0934 H 1 noname 0.0677 30 H11 3.1040 0.0476 4.0791 H 1 noname 0.0650 31 H12 5.8540 -2.4577 -0.0451 H 1 noname 0.2182 32 H13 -2.7834 0.6820 -4.2929 H 1 noname 0.2181 33 H14 6.2567 -1.5556 4.2299 H 1 noname 0.2181 @BOND 1 1 7 1 2 1 10 1 3 2 12 1 4 2 31 1 5 3 16 1 6 3 32 1 7 4 19 1 8 4 33 1 9 5 6 1 10 5 7 1 11 5 9 1 12 5 20 1 13 6 8 1 14 6 21 1 15 6 22 1 16 7 23 1 17 7 24 1 18 8 10 2 19 8 11 1 20 9 12 2 21 9 13 1 22 10 14 1 23 11 15 2 24 11 25 1 25 12 17 1 26 13 18 2 27 13 26 1 28 14 16 2 29 14 27 1 30 15 16 1 31 15 28 1 32 17 19 2 33 17 29 1 34 18 19 1 35 18 30 1 @SUBSTRUCTURE 1 noname 1